diff --git a/env/rhel7/x86_64/admin/stable/spack.yaml b/env/rhel7/x86_64/admin/stable/spack.yaml index c410dc4..5fa2efd 100644 --- a/env/rhel7/x86_64/admin/stable/spack.yaml +++ b/env/rhel7/x86_64/admin/stable/spack.yaml @@ -13,8 +13,8 @@ spack: - gcc_12.3.0_openmpi: - opal@master/l4dkgyf include: - - $spack/spack-psi/env/rhel7/$target_family/sysconfigs/packages.yaml - - $spack/spack-psi/env/rhel7/$target_family/sysconfigs/compilers.yaml + - $spack/../spack-psi/env/rhel7/$target_family/sysconfigs/packages.yaml + - $spack/../spack-psi/env/rhel7/$target_family/sysconfigs/compilers.yaml mirrors: local_psi: file:///afs/psi.ch/software/spack/testing modules: diff --git a/env/rhel7/x86_64/admin/testing/spack.yaml b/env/rhel7/x86_64/admin/testing/spack.yaml index da216f7..fcc3df9 100644 --- a/env/rhel7/x86_64/admin/testing/spack.yaml +++ b/env/rhel7/x86_64/admin/testing/spack.yaml @@ -8,8 +8,8 @@ spack: # Strongly adviced to avoid problems with buildcaches padded_length: 256 include: - - $spack/spack-psi/env/rhel7/$target_family/sysconfigs/packages.yaml - - $spack/spack-psi/env/rhel7/$target_family/sysconfigs/compilers.yaml + - $spack/../spack-psi/env/rhel7/$target_family/sysconfigs/packages.yaml + - $spack/../spack-psi/env/rhel7/$target_family/sysconfigs/compilers.yaml mirrors: local_psi: file:///afs/psi.ch/software/spack/testing modules: diff --git a/env/rhel7/x86_64/admin/unstable/spack.yaml b/env/rhel7/x86_64/admin/unstable/spack.yaml index 16bb040..552ba85 100644 --- a/env/rhel7/x86_64/admin/unstable/spack.yaml +++ b/env/rhel7/x86_64/admin/unstable/spack.yaml @@ -21,8 +21,8 @@ spack: - oneapi_2024.1.0_openmpi: - gromacs@2024.1/pi5t2pp # ~cuda include: - - $spack/spack-psi/env/rhel7/$target_family/sysconfigs/packages.yaml - - $spack/spack-psi/env/rhel7/$target_family/sysconfigs/compilers.yaml + - $spack/../spack-psi/env/rhel7/$target_family/sysconfigs/packages.yaml + - $spack/../spack-psi/env/rhel7/$target_family/sysconfigs/compilers.yaml mirrors: local_psi: file:///afs/psi.ch/software/spack/testing modules: diff --git a/env/rhel7/x86_64/sysconfigs/compilers.yaml b/env/rhel7/x86_64/sysconfigs/compilers.yaml index cc8f38f..b2ead31 100644 --- a/env/rhel7/x86_64/sysconfigs/compilers.yaml +++ b/env/rhel7/x86_64/sysconfigs/compilers.yaml @@ -15,10 +15,10 @@ compilers: - compiler: spec: gcc@=12.3.0 paths: - cc: /afs/psi.ch/sys/spack/system/opt/spack/stable/linux-rhel7-x86_64/gcc-4.8.5/gcc-12.3.0-zpn75bqd4uuxamtoonk5tkiproitfqpt/bin/gcc - cxx: /afs/psi.ch/sys/spack/system/opt/spack/stable/linux-rhel7-x86_64/gcc-4.8.5/gcc-12.3.0-zpn75bqd4uuxamtoonk5tkiproitfqpt/bin/g++ - f77: /afs/psi.ch/sys/spack/system/opt/spack/stable/linux-rhel7-x86_64/gcc-4.8.5/gcc-12.3.0-zpn75bqd4uuxamtoonk5tkiproitfqpt/bin/gfortran - fc: /afs/psi.ch/sys/spack/system/opt/spack/stable/linux-rhel7-x86_64/gcc-4.8.5/gcc-12.3.0-zpn75bqd4uuxamtoonk5tkiproitfqpt/bin/gfortran + cc: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-rhel7-x86_64/gcc-4.8.5/gcc-12.3.0-zpn75bqd4uuxamtoonk5tkiproitfqpt/bin/gcc + cxx: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-rhel7-x86_64/gcc-4.8.5/gcc-12.3.0-zpn75bqd4uuxamtoonk5tkiproitfqpt/bin/g++ + f77: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-rhel7-x86_64/gcc-4.8.5/gcc-12.3.0-zpn75bqd4uuxamtoonk5tkiproitfqpt/bin/gfortran + fc: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-rhel7-x86_64/gcc-4.8.5/gcc-12.3.0-zpn75bqd4uuxamtoonk5tkiproitfqpt/bin/gfortran flags: {} operating_system: rhel7 target: x86_64 @@ -28,10 +28,10 @@ compilers: - compiler: spec: oneapi@=2024.1.0 paths: - cc: /afs/psi.ch/sys/spack/system/opt/spack/stable/linux-rhel7-x86_64/gcc-4.8.5/intel-oneapi-compilers-2024.1.0-4xhusak77uwpnggnimldlea4qydtzxy7/compiler/2024.1/bin/icx - cxx: /afs/psi.ch/sys/spack/system/opt/spack/stable/linux-rhel7-x86_64/gcc-4.8.5/intel-oneapi-compilers-2024.1.0-4xhusak77uwpnggnimldlea4qydtzxy7/compiler/2024.1/bin/icpx - f77: /afs/psi.ch/sys/spack/system/opt/spack/stable/linux-rhel7-x86_64/gcc-4.8.5/intel-oneapi-compilers-2024.1.0-4xhusak77uwpnggnimldlea4qydtzxy7/compiler/2024.1/bin/ifx - fc: /afs/psi.ch/sys/spack/system/opt/spack/stable/linux-rhel7-x86_64/gcc-4.8.5/intel-oneapi-compilers-2024.1.0-4xhusak77uwpnggnimldlea4qydtzxy7/compiler/2024.1/bin/ifx + cc: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-rhel7-x86_64/gcc-4.8.5/intel-oneapi-compilers-2024.1.0-4xhusak77uwpnggnimldlea4qydtzxy7/compiler/2024.1/bin/icx + cxx: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-rhel7-x86_64/gcc-4.8.5/intel-oneapi-compilers-2024.1.0-4xhusak77uwpnggnimldlea4qydtzxy7/compiler/2024.1/bin/icpx + f77: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-rhel7-x86_64/gcc-4.8.5/intel-oneapi-compilers-2024.1.0-4xhusak77uwpnggnimldlea4qydtzxy7/compiler/2024.1/bin/ifx + fc: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-rhel7-x86_64/gcc-4.8.5/intel-oneapi-compilers-2024.1.0-4xhusak77uwpnggnimldlea4qydtzxy7/compiler/2024.1/bin/ifx flags: {} operating_system: rhel7 target: x86_64 diff --git a/env/rhel7/x86_64/sysconfigs/packages.yaml b/env/rhel7/x86_64/sysconfigs/packages.yaml index f828c49..3e83b2b 100644 --- a/env/rhel7/x86_64/sysconfigs/packages.yaml +++ b/env/rhel7/x86_64/sysconfigs/packages.yaml @@ -69,8 +69,6 @@ packages: require: '%gcc' freetype: require: '%gcc@4.8.5' - gams: - require: '%gcc@4.8.5' gawk: require: '%gcc@4.8.5' gcc: @@ -147,7 +145,7 @@ packages: libxml2: require: '%gcc@4.8.5' libxpm: - require: '%gcc@4.8.5' + require: '%gcc' libxt: require: '%gcc' m4: diff --git a/env/rhel7/x86_64/users/stable/spack.yaml b/env/rhel7/x86_64/users/stable/spack.yaml index 469c9c6..b277cf2 100644 --- a/env/rhel7/x86_64/users/stable/spack.yaml +++ b/env/rhel7/x86_64/users/stable/spack.yaml @@ -2,10 +2,10 @@ spack: concretizer: unify: false include: - - $spack/spack-psi/env/rhel7/x86_64/sysconfigs/packages.yaml - - $spack/spack-psi/env/rhel7/x86_64/sysconfigs/compilers.yaml + - $spack/../spack-psi/env/rhel7/x86_64/sysconfigs/packages.yaml + - $spack/../spack-psi/env/rhel7/x86_64/sysconfigs/compilers.yaml include_concrete: - - /afs/psi.ch/sys/spack/system/spack-psi/env/rhel7/x86_64/admin/stable + - /afs/psi.ch/sys/spack/spack-psi/env/rhel7/x86_64/admin/stable specs: [] upstreams: stable: diff --git a/env/rhel7/x86_64/users/unstable/spack.yaml b/env/rhel7/x86_64/users/unstable/spack.yaml index 747255b..ba9753f 100644 --- a/env/rhel7/x86_64/users/unstable/spack.yaml +++ b/env/rhel7/x86_64/users/unstable/spack.yaml @@ -2,11 +2,11 @@ spack: concretizer: unify: false include: - - $spack/spack-psi/env/rhel7/x86_64/sysconfigs/packages.yaml - - $spack/spack-psi/env/rhel7/x86_64/sysconfigs/compilers.yaml + - $spack/../spack-psi/env/rhel7/x86_64/sysconfigs/packages.yaml + - $spack/../spack-psi/env/rhel7/x86_64/sysconfigs/compilers.yaml include_concrete: - - /afs/psi.ch/sys/spack/system/spack-psi/env/rhel7/x86_64/admin/stable - - /afs/psi.ch/sys/spack/system/spack-psi/env/rhel7/x86_64/admin/unstable + - /afs/psi.ch/sys/spack/spack-psi/env/rhel7/x86_64/admin/stable + - /afs/psi.ch/sys/spack/spack-psi/env/rhel7/x86_64/admin/unstable specs: [] upstreams: stable: diff --git a/env/sles15/aarch64/admin/stable/spack.yaml b/env/sles15/aarch64/admin/stable/spack.yaml index 220ff9f..0c62ab4 100644 --- a/env/sles15/aarch64/admin/stable/spack.yaml +++ b/env/sles15/aarch64/admin/stable/spack.yaml @@ -9,8 +9,8 @@ spack: - gcc_12.3_mpich: - relion@4.0.1/ve5sish #+cuda include: - - $spack/spack-psi/env/$os/$target_family/sysconfigs/packages.yaml - - $spack/spack-psi/env/$os/$target_family/sysconfigs/compilers.yaml + - $spack/../spack-psi/env/$os/$target_family/sysconfigs/packages.yaml + - $spack/../spack-psi/env/$os/$target_family/sysconfigs/compilers.yaml mirrors: local_psi: file:///afs/psi.ch/software/spack/testing modules: diff --git a/env/sles15/aarch64/admin/testing/spack.yaml b/env/sles15/aarch64/admin/testing/spack.yaml index e75354c..d149a20 100644 --- a/env/sles15/aarch64/admin/testing/spack.yaml +++ b/env/sles15/aarch64/admin/testing/spack.yaml @@ -7,8 +7,8 @@ spack: # Strongly adviced to avoid problems with buildcaches padded_length: 256 include: - - $spack/spack-psi/env/$os/$target_family/sysconfigs/packages.yaml - - $spack/spack-psi/env/$os/$target_family/sysconfigs/compilers.yaml + - $spack/../spack-psi/env/$os/$target_family/sysconfigs/packages.yaml + - $spack/../spack-psi/env/$os/$target_family/sysconfigs/compilers.yaml mirrors: local_psi: file:///afs/psi.ch/software/spack/testing modules: diff --git a/env/sles15/aarch64/admin/unstable/spack.yaml b/env/sles15/aarch64/admin/unstable/spack.yaml index 688207e..15c36fd 100644 --- a/env/sles15/aarch64/admin/unstable/spack.yaml +++ b/env/sles15/aarch64/admin/unstable/spack.yaml @@ -23,8 +23,8 @@ spack: - nvhpc_23.9_openmpi: - quantum-espresso@7.3.1/le35al7 #+cuda include: - - $spack/spack-psi/env/$os/$target_family/sysconfigs/packages.yaml - - $spack/spack-psi/env/$os/$target_family/sysconfigs/compilers.yaml + - $spack/../spack-psi/env/$os/$target_family/sysconfigs/packages.yaml + - $spack/../spack-psi/env/$os/$target_family/sysconfigs/compilers.yaml mirrors: local_psi: file:///afs/psi.ch/software/spack/testing modules: diff --git a/env/sles15/aarch64/users/stable/spack.yaml b/env/sles15/aarch64/users/stable/spack.yaml index 55880db..a88f12e 100644 --- a/env/sles15/aarch64/users/stable/spack.yaml +++ b/env/sles15/aarch64/users/stable/spack.yaml @@ -2,10 +2,10 @@ spack: concretizer: unify: false include: - - $spack/spack-psi/env/sles15/aarch64/sysconfigs/packages.yaml - - $spack/spack-psi/env/sles15/aarch64/sysconfigs/compilers.yaml + - $spack/../spack-psi/env/sles15/aarch64/sysconfigs/packages.yaml + - $spack/../spack-psi/env/sles15/aarch64/sysconfigs/compilers.yaml include_concrete: - - /afs/psi.ch/sys/spack/system/spack-psi/env/sles15/aarch64/admin/stable + - /afs/psi.ch/sys/spack/spack-psi/env/sles15/aarch64/admin/stable specs: [] upstreams: stable: diff --git a/env/sles15/aarch64/users/unstable/spack.yaml b/env/sles15/aarch64/users/unstable/spack.yaml index 5e4caa8..accad21 100644 --- a/env/sles15/aarch64/users/unstable/spack.yaml +++ b/env/sles15/aarch64/users/unstable/spack.yaml @@ -2,11 +2,11 @@ spack: concretizer: unify: false include: - - $spack/spack-psi/env/sles15/aarch64/sysconfigs/packages.yaml - - $spack/spack-psi/env/sles15/aarch64/sysconfigs/compilers.yaml + - $spack/../spack-psi/env/sles15/aarch64/sysconfigs/packages.yaml + - $spack/../spack-psi/env/sles15/aarch64/sysconfigs/compilers.yaml include_concrete: - - /afs/psi.ch/sys/spack/system/spack-psi/env/sles15/aarch64/admin/stable - - /afs/psi.ch/sys/spack/system/spack-psi/env/sles15/aarch64/admin/unstable + - /afs/psi.ch/sys/spack/spack-psi/env/sles15/aarch64/admin/stable + - /afs/psi.ch/sys/spack/spack-psi/env/sles15/aarch64/admin/unstable specs: [] upstreams: stable: diff --git a/env/sles15/x86_64/admin/stable/spack.yaml b/env/sles15/x86_64/admin/stable/spack.yaml index ea7f827..c4352e8 100644 --- a/env/sles15/x86_64/admin/stable/spack.yaml +++ b/env/sles15/x86_64/admin/stable/spack.yaml @@ -11,8 +11,8 @@ spack: - gcc_12.3_mpich: - relion@4.0.1/ve5sish #+cuda include: - - $spack/spack-psi/env/$os/$target_family/sysconfigs/packages.yaml - - $spack/spack-psi/env/$os/$target_family/sysconfigs/compilers.yaml + - $spack/../spack-psi/env/$os/$target_family/sysconfigs/packages.yaml + - $spack/../spack-psi/env/$os/$target_family/sysconfigs/compilers.yaml mirrors: local_psi: file:///afs/psi.ch/software/spack/testing modules: diff --git a/env/sles15/x86_64/admin/testing/spack.yaml b/env/sles15/x86_64/admin/testing/spack.yaml index e75354c..d149a20 100644 --- a/env/sles15/x86_64/admin/testing/spack.yaml +++ b/env/sles15/x86_64/admin/testing/spack.yaml @@ -7,8 +7,8 @@ spack: # Strongly adviced to avoid problems with buildcaches padded_length: 256 include: - - $spack/spack-psi/env/$os/$target_family/sysconfigs/packages.yaml - - $spack/spack-psi/env/$os/$target_family/sysconfigs/compilers.yaml + - $spack/../spack-psi/env/$os/$target_family/sysconfigs/packages.yaml + - $spack/../spack-psi/env/$os/$target_family/sysconfigs/compilers.yaml mirrors: local_psi: file:///afs/psi.ch/software/spack/testing modules: diff --git a/env/sles15/x86_64/admin/unstable/spack.yaml b/env/sles15/x86_64/admin/unstable/spack.yaml index 0bae690..11cafe8 100644 --- a/env/sles15/x86_64/admin/unstable/spack.yaml +++ b/env/sles15/x86_64/admin/unstable/spack.yaml @@ -25,8 +25,8 @@ spack: - nvhpc_23.9_openmpi: - quantum-espresso@7.3.1/le35al7 #+cuda include: - - $spack/spack-psi/env/$os/$target_family/sysconfigs/packages.yaml - - $spack/spack-psi/env/$os/$target_family/sysconfigs/compilers.yaml + - $spack/../spack-psi/env/$os/$target_family/sysconfigs/packages.yaml + - $spack/../spack-psi/env/$os/$target_family/sysconfigs/compilers.yaml mirrors: local_psi: file:///afs/psi.ch/software/spack/testing modules: diff --git a/env/sles15/x86_64/sysconfigs/compilers.yaml b/env/sles15/x86_64/sysconfigs/compilers.yaml index 8c95197..618f0b1 100644 --- a/env/sles15/x86_64/sysconfigs/compilers.yaml +++ b/env/sles15/x86_64/sysconfigs/compilers.yaml @@ -65,10 +65,10 @@ compilers: - compiler: spec: intel@=2021.6.0 paths: - cc: /afs/psi.ch/sys/spack/system/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/intel-oneapi-compilers-2022.1.0-jjfubnqeg5udrhlho6owzlpi6odqsey5/compiler/2022.1.0/linux/bin/intel64/icc - cxx: /afs/psi.ch/sys/spack/system/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/intel-oneapi-compilers-2022.1.0-jjfubnqeg5udrhlho6owzlpi6odqsey5/compiler/2022.1.0/linux/bin/intel64/icpc - f77: /afs/psi.ch/sys/spack/system/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/intel-oneapi-compilers-2022.1.0-jjfubnqeg5udrhlho6owzlpi6odqsey5/compiler/2022.1.0/linux/bin/intel64/ifort - fc: /afs/psi.ch/sys/spack/system/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/intel-oneapi-compilers-2022.1.0-jjfubnqeg5udrhlho6owzlpi6odqsey5/compiler/2022.1.0/linux/bin/intel64/ifort + cc: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/intel-oneapi-compilers-2022.1.0-jjfubnqeg5udrhlho6owzlpi6odqsey5/compiler/2022.1.0/linux/bin/intel64/icc + cxx: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/intel-oneapi-compilers-2022.1.0-jjfubnqeg5udrhlho6owzlpi6odqsey5/compiler/2022.1.0/linux/bin/intel64/icpc + f77: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/intel-oneapi-compilers-2022.1.0-jjfubnqeg5udrhlho6owzlpi6odqsey5/compiler/2022.1.0/linux/bin/intel64/ifort + fc: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/intel-oneapi-compilers-2022.1.0-jjfubnqeg5udrhlho6owzlpi6odqsey5/compiler/2022.1.0/linux/bin/intel64/ifort flags: {} operating_system: sles15 target: x86_64 @@ -79,8 +79,8 @@ compilers: - compiler: spec: oneapi@=2022.1.0 paths: - cc: /afs/psi.ch/sys/spack/system/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/intel-oneapi-compilers-2022.1.0-jjfubnqeg5udrhlho6owzlpi6odqsey5/compiler/2022.1.0/linux/bin/icx - cxx: /afs/psi.ch/sys/spack/system/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/intel-oneapi-compilers-2022.1.0-jjfubnqeg5udrhlho6owzlpi6odqsey5/compiler/2022.1.0/linux/bin/icpx + cc: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/intel-oneapi-compilers-2022.1.0-jjfubnqeg5udrhlho6owzlpi6odqsey5/compiler/2022.1.0/linux/bin/icx + cxx: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/intel-oneapi-compilers-2022.1.0-jjfubnqeg5udrhlho6owzlpi6odqsey5/compiler/2022.1.0/linux/bin/icpx f77: null fc: null flags: {} diff --git a/env/sles15/x86_64/users/stable/spack.yaml b/env/sles15/x86_64/users/stable/spack.yaml index 6872692..ff8cf5f 100644 --- a/env/sles15/x86_64/users/stable/spack.yaml +++ b/env/sles15/x86_64/users/stable/spack.yaml @@ -2,10 +2,10 @@ spack: concretizer: unify: false include: - - $spack/spack-psi/env/sles15/x86_64/sysconfigs/packages.yaml - - $spack/spack-psi/env/sles15/x86_64/sysconfigs/compilers.yaml + - $spack/../spack-psi/env/sles15/x86_64/sysconfigs/packages.yaml + - $spack/../spack-psi/env/sles15/x86_64/sysconfigs/compilers.yaml include_concrete: - - /afs/psi.ch/sys/spack/system/spack-psi/env/sles15/x86_64/admin/stable + - /afs/psi.ch/sys/spack/spack-psi/env/sles15/x86_64/admin/stable specs: [] upstreams: stable: diff --git a/env/sles15/x86_64/users/unstable/spack.yaml b/env/sles15/x86_64/users/unstable/spack.yaml index d4f1123..c9e4e5b 100644 --- a/env/sles15/x86_64/users/unstable/spack.yaml +++ b/env/sles15/x86_64/users/unstable/spack.yaml @@ -2,11 +2,11 @@ spack: concretizer: unify: false include: - - $spack/spack-psi/env/sles15/x86_64/sysconfigs/packages.yaml - - $spack/spack-psi/env/sles15/x86_64/sysconfigs/compilers.yaml + - $spack/../spack-psi/env/sles15/x86_64/sysconfigs/packages.yaml + - $spack/../spack-psi/env/sles15/x86_64/sysconfigs/compilers.yaml include_concrete: - - /afs/psi.ch/sys/spack/system/spack-psi/env/sles15/x86_64/admin/stable - - /afs/psi.ch/sys/spack/system/spack-psi/env/sles15/x86_64/admin/unstable + - /afs/psi.ch/sys/spack/spack-psi/env/sles15/x86_64/admin/stable + - /afs/psi.ch/sys/spack/spack-psi/env/sles15/x86_64/admin/unstable specs: [] upstreams: stable: diff --git a/packages/gams/package.py b/packages/gams/package.py new file mode 100644 index 0000000..7c3b50d --- /dev/null +++ b/packages/gams/package.py @@ -0,0 +1,13 @@ +# Copyright 2013-2024 Lawrence Livermore National Security, LLC and other +# Spack Project Developers. See the top-level COPYRIGHT file for details. +# +# SPDX-License-Identifier: (Apache-2.0 OR MIT) + +import os + +from spack.package import * +from spack.pkg.builtin.gams import Gams as SpackGams + + +class Gams(SpackGams): + version("48.1", md5="5a59a973edfc4e3170b9535760593d62", expand=False)