compile Xtrapol8 v1.2.8 with phenix 1.21

This commit is contained in:
2026-03-26 17:06:02 +01:00
parent 8dbcb20a91
commit eecc7e5c08
4 changed files with 14 additions and 5 deletions
+2
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@@ -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...
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@@ -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
}
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@@ -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-${V_PKG}.tar.gz
versions:
1.2.1:
config:
runtime_deps: [phenix/phenix-1.19.1-4122]
runtime_deps: [phenix/phenix-1.19.1-4122]
1.2.8:
config:
runtime_deps: [phenix/1.21.1-5286]
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@@ -3,7 +3,7 @@
module-whatis "Xtrapol8 is software for the structure determination of low-occupancy states in crystallography"
module-url "https://github.com/ElkeDeZitter/Xtrapol8"
module-license "MIT license"
module-maintainer "Greta Assmann - greta.assmann@psi.ch"
module-maintainer "Dawn Duan - jiaxin.duan@psi.ch"
module-help "
Xtrapol8 is software for the calculation of Fourier difference maps, extrapolated structure factors and estimation of the occupancy of at triggered state that occupies the crystal
@@ -15,5 +15,9 @@ An introduction into Fourier difference maps, structure factor extrapolation and
If Xtrapol8 was useful in your project, please cite us: De Zitter, E., Coquelle, N., Oeser, P., Barends, T. R. M., Colletier, J.-P., Xtrapol8 enables automatic elucidation of low-
occupancy intermediate-states in crystallographic studies, Communications Biology, 5(1):640, 2022. (https://www.nature.com/articles/s42003-022-03575-7)
urls:
- url: https://github.com/ElkeDeZitter/Xtrapol8/archive/refs/tags/v${V_PKG}.tar.gz
name: Xtrapol8-${V_PKG}.tar.gz
"