From 796394d79890013b57bf47c3f4091134e892a9ec Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Sat, 5 Apr 2014 01:07:42 +0200 Subject: [PATCH] Bugs in unarchive EZFIO --- data/inputs/Makefile | 11 ++++++----- data/inputs/Ne_dz.ezfio.md5 | 18 ------------------ scripts/unarchive_ezfio.sh | 4 ++-- 3 files changed, 8 insertions(+), 25 deletions(-) delete mode 100644 data/inputs/Ne_dz.ezfio.md5 diff --git a/data/inputs/Makefile b/data/inputs/Makefile index 488e762d..2ed41342 100644 --- a/data/inputs/Makefile +++ b/data/inputs/Makefile @@ -1,9 +1,10 @@ -all: $(wildcard *.ezfio) +all_ezfio: $(shell for i in *.out.ezfio ; do echo $$i ; done) +all_md5: $(shell for i in *.out.ezfio.md5 ; do echo $$i ; done) FORCE: -%.ezfio.md5: FORCE - archive_ezfio.sh $*.ezfio - %.ezfio: FORCE - unarchive_ezfio.sh $@.md5 + archive_ezfio.sh $@ + +%.ezfio.md5: FORCE + unarchive_ezfio.sh $@ diff --git a/data/inputs/Ne_dz.ezfio.md5 b/data/inputs/Ne_dz.ezfio.md5 deleted file mode 100644 index de0959c9..00000000 --- a/data/inputs/Ne_dz.ezfio.md5 +++ /dev/null @@ -1,18 +0,0 @@ -3a99bcfcbfc32219791e6980c927b900 Ne_dz.ezfio/ao_basis/ao_coef.gz -54485b685f849c6f24a9c08a926daaf9 Ne_dz.ezfio/ao_basis/ao_expo.gz -2cf8c46d0cf91710e14856c92bcd0aae Ne_dz.ezfio/ao_basis/ao_nucl.gz -8d835c17bb93dc4b67ed4ec1d7197ffa Ne_dz.ezfio/ao_basis/ao_num -98cbb5f685decb369b99845fd6eb5b77 Ne_dz.ezfio/ao_basis/ao_power.gz -8fc6c40dd4f2fbdc0304f47431e028ae Ne_dz.ezfio/ao_basis/ao_prim_num.gz -d765d41448fe246fcc034b66e2768837 Ne_dz.ezfio/electrons/elec_alpha_num -d765d41448fe246fcc034b66e2768837 Ne_dz.ezfio/electrons/elec_beta_num -1ee880177e361ed2bd645106ee48c8cb Ne_dz.ezfio/ezfio/creation -70157eb5a25c5322e4ca22d63bff32cb Ne_dz.ezfio/ezfio/library -6c31c4e78cfa4e40197145e3e3f15e2c Ne_dz.ezfio/mo_basis/mo_coef.gz -cb9c18d6e379c6e854cdaed882d48e3e Ne_dz.ezfio/mo_basis/mo_energy.gz -c08fa3ff955fbcef6125c84821e1ac74 Ne_dz.ezfio/mo_basis/mo_occ.gz -d92fe2f613eefb751a11426863c90e49 Ne_dz.ezfio/mo_basis/mo_symmetry.gz -757c9248d7ddb2778d3df1b1ba938d15 Ne_dz.ezfio/mo_basis/mo_tot_num -223f155011993e8895a4ca2700ae19e3 Ne_dz.ezfio/nuclei/nucl_charge.gz -26eadd8aca5305d36e279234568f0925 Ne_dz.ezfio/nuclei/nucl_coord.gz -765e1f05dd3fbab8c7ebefaf2f1813e4 Ne_dz.ezfio/nuclei/nucl_num diff --git a/scripts/unarchive_ezfio.sh b/scripts/unarchive_ezfio.sh index ecdfa8bb..d8ab1f9c 100755 --- a/scripts/unarchive_ezfio.sh +++ b/scripts/unarchive_ezfio.sh @@ -24,8 +24,8 @@ then exit 1 fi -key=($(cut -d ' ' -f 1 Ne_dz.ezfio.md5 )) -filename=($(cut -d ' ' -f 2 Ne_dz.ezfio.md5 )) +key=($(cut -d ' ' -f 1 ${EZFIO_FILE}.md5)) +filename=($(cut -d ' ' -f 2 ${EZFIO_FILE}.md5)) for i in ${!key[@]} do