diff --git a/Xtrapol8/README.md b/Xtrapol8/README.md index 090c8ee..11003d0 100644 --- a/Xtrapol8/README.md +++ b/Xtrapol8/README.md @@ -1,5 +1,7 @@ ### Installation remarks +March 2026: From v1.2.6 on, seem to work with phenix/1.21 versions. v1.2.8 is compiled with phenix/1.21 version and needs to be tested to see whether it works. + According to Elke de Zitter (as of Spring 2024) Xtrapol8 only runs with the phenix/1.19 version. --> check for new releases... diff --git a/Xtrapol8/build b/Xtrapol8/build index 0fcabb0..d53322c 100755 --- a/Xtrapol8/build +++ b/Xtrapol8/build @@ -12,6 +12,6 @@ pbuild::compile() { pbuild::install(){ mkdir "$PREFIX/bin" cd "$PREFIX/bin" - tar -xf "${PMODULES_DISTFILESDIR}/Xtrapol8-${V_PKG}.tar.gz" --strip-components=1 + tar -xf "${BUILDBLOCK_DIR}/Xtrapol8-${V_PKG}.tar.gz" --strip-components=1 } diff --git a/Xtrapol8/files/config.yaml b/Xtrapol8/files/config.yaml index e6ac38a..f153e36 100644 --- a/Xtrapol8/files/config.yaml +++ b/Xtrapol8/files/config.yaml @@ -3,10 +3,13 @@ Xtrapol8: defaults: group: MX relstage: unstable - urls: - - url: https://github.com/ElkeDeZitter/Xtrapol8/archive/refs/tags/v${V_PKG}.tar.gz + urls: + - url: https://github.com/ElkeDeZitter/Xtrapol8/archive/refs/tags/v.${V_PKG}.tar.gz name: Xtrapol8-${V_PKG}.tar.gz versions: 1.2.1: config: - runtime_deps: [phenix/phenix-1.19.1-4122] \ No newline at end of file + runtime_deps: [phenix/phenix-1.19.1-4122] + 1.2.8: + config: + runtime_deps: [phenix/1.21.1-5286] diff --git a/Xtrapol8/modulefile b/Xtrapol8/modulefile index 882c91e..6fc17b9 100644 --- a/Xtrapol8/modulefile +++ b/Xtrapol8/modulefile @@ -3,7 +3,7 @@ module-whatis "Xtrapol8 is software for the structure determination of low-occupancy states in crystallography" module-url "https://github.com/ElkeDeZitter/Xtrapol8" module-license "MIT license" -module-maintainer "Greta Assmann - greta.assmann@psi.ch" +module-maintainer "Dawn Duan - jiaxin.duan@psi.ch" module-help " Xtrapol8 is software for the calculation of Fourier difference maps, extrapolated structure factors and estimation of the occupancy of at triggered state that occupies the crystal @@ -15,5 +15,9 @@ An introduction into Fourier difference maps, structure factor extrapolation and If Xtrapol8 was useful in your project, please cite us: De Zitter, E., Coquelle, N., Oeser, P., Barends, T. R. M., Colletier, J.-P., Xtrapol8 enables automatic elucidation of low- occupancy intermediate-states in crystallographic studies, Communications Biology, 5(1):640, 2022. (https://www.nature.com/articles/s42003-022-03575-7) + + urls: + - url: https://github.com/ElkeDeZitter/Xtrapol8/archive/refs/tags/v${V_PKG}.tar.gz + name: Xtrapol8-${V_PKG}.tar.gz "